>compound Hexylamine_Hexylamine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H15N
#smiles CCCCCCN
#RECORD LC-ESI-QTOF_train_data/PR100051.txt;LC-ESI-QTOF_train_data/PR100052.txt
>charge 1
>ionization [M+H]+
>parentmass 102.12824

>collision 5-60
57.0717 24.53
85.1023 122.9
102.1282 363.9

>collision 30
57.0717 24.53
85.1023 122.9
102.1282 363.9

